Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C28H36N6O3.2C7H6O4 |
Molecular Weight | 812.8641 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=C(O)C=CC(O)=C1.OC(=O)C2=C(O)C=CC(O)=C2.CCN3C(=O)OCC4=CN=C(N[C@@H](C)C5=CC=C(C=C5)[C@H](CC6CC6)N7CCN(CC7)C(=O)C=C)N=C34
InChI
InChIKey=XQWBGFYMSJJBDD-JVVPNVHDSA-N
InChI=1S/C28H36N6O3.2C7H6O4/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27;2*8-4-1-2-6(9)5(3-4)7(10)11/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31);2*1-3,8-9H,(H,10,11)/t19-,24-;;/m0../s1
Molecular Formula | C7H6O4 |
Molecular Weight | 154.1201 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C28H36N6O3 |
Molecular Weight | 504.6238 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:57:05 GMT 2023
by
admin
on
Sat Dec 16 19:57:05 GMT 2023
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Record UNII |
367925DQ54
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Record Status |
Validated (UNII)
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Record Version |
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-
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LM-61
Created by
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2759438-85-0
Created by
admin on Sat Dec 16 19:57:05 GMT 2023 , Edited by admin on Sat Dec 16 19:57:05 GMT 2023
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367925DQ54
Created by
admin on Sat Dec 16 19:57:05 GMT 2023 , Edited by admin on Sat Dec 16 19:57:05 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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